1-[(3S)-3-methyl-7-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-[(3S)-3-methyl-7-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(thiophen-2-yl)ethan-1-one
1-[(3S)-3-methyl-7-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | S979-0438 |
| Compound Name: | 1-[(3S)-3-methyl-7-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C21 H24 N2 O4 S |
| Smiles: | C[C@H]1COc2ccc(cc2CN1C(Cc1cccs1)=O)C(N1CCOCC1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.9491 |
| logD: | 1.9491 |
| logSw: | -2.6055 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.662 |
| InChI Key: | XQAIXANSEGXGSL-HNNXBMFYSA-N |